SCHEMBL363130

SCHEMBL363130

Cc1cc(OC(F)F)cnc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.42
CTSD P07339 5/20 0.41
BACE2 Q9Y5Z0 2/20 0.39
APP P05067 1/20 0.39
CYP2D6 P10635 1/20 0.39
PTGER4 P35408 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18379122 0.89 TDP1 (0.38) BACE1CTSDBACE2APPCYP2D6
SCHEMBL18496845 0.86 BACE1 (0.42) BACE1CTSDBACE2APPCYP2D6
SCHEMBL16461418 0.86 BACE1 (0.46) BACE1CTSDBACE2APPCYP2D6
SCHEMBL27659789 0.85 ALDH1A1 (0.45)
SCHEMBL18698889 0.84 BACE1 (0.42) BACE1CTSDBACE2APPCYP2D6
SCHEMBL15910444 0.83 BACE1 (0.46) BACE1CTSDBACE2APPCYP2D6
SCHEMBL10328693 0.82 KMT2A (0.38) BACE1CTSDBACE2APPCYP2D6
SCHEMBL362634 0.81 KMT2A (0.46) BACE1BACE2APPCYP2D6
SCHEMBL15933976 0.80 BACE1 (0.46) BACE1CTSDBACE2APPCYP2D6
SCHEMBL312811 0.80 TSHR (0.43)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 205 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103403001-B Heterocyclic derivatives and their use in the treatment of neurological disorders 诺瓦提斯公司 2016-08-17 CN claimed
EP-2663561-B1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2016-03-16 EP claimed
US-20150322038-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-11-12 US claimed
US-20150203481-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2015-07-23 US claimed
EP-2663559-B1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-07-01 EP claimed
CN-102712621-B Pyrazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG 2015-03-11 CN claimed
EP-2456763-B1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-21 EP claimed
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-15 US claimed
US-8865712-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2014-10-21 US claimed
CN-102471293-B Oxazine derivatives and their use as BACE inhibitors for the treatment of neurological disorders NOVARTIS AG (CH) 2014-10-01 CN claimed
US-20120277244-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-11-01 US claimed
CN-102712621-A Pyrazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG 2012-10-03 CN claimed
CN-102666507-A Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG 2012-09-12 CN claimed
EP-2483255-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-08-08 EP claimed
US-20120184539-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-07-19 US claimed
WO-2012095469-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-07-19 WO claimed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO claimed
WO-2012095463-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-07-19 WO claimed
CN-102471293-A Oxazine derivatives and their use as BACE inhibitors for the treatment of neurological disorders NOVARTIS AG 2012-05-23 CN claimed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150322038-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS GRIK5, GRIN2C, GRIN2A BACE1 436/4885CTSD 3072/4885BACE2 736/4885
US-20150203481-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 BACE1 2/4885CTSD 106/4885BACE2 1/4885
US-20120277244-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS GRIK5, GRIN2C, GRIN2A BACE1 353/4885CTSD 3407/4885BACE2 734/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C BACE1 69/4885CTSD 3279/4885BACE2 161/4885
US-20120184539-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 BACE1 2/4885CTSD 106/4885BACE2 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.